[1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

C22H21FN2O3 — CID 33366935

IUPAC[1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cc4c(F)cccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H21FN2O3/c1-28-16-7-5-14(6-8-16)21(26)15-9-11-25(12-10-15)22(27)20-13-17-18(23)3-2-4-19(17)24-20/h2-8,13,15,24H,9-12H2,1H3
InChIKeyYWECEFAMXWHZMK-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.05
Rot. Bonds4

About [1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 33366935) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is [1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID33366935
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name[1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cc4c(F)cccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H21FN2O3/c1-28-16-7-5-14(6-8-16)21(26)15-9-11-25(12-10-15)22(27)20-13-17-18(23)3-2-4-19(17)24-20/h2-8,13,15,24H,9-12H2,1H3
InChIKeyYWECEFAMXWHZMK-UHFFFAOYSA-N
XLogP4.05
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475454
(3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone
CID 55957029
(3,5-dimethylpiperidin-1-yl)-(4-fluoro-1H-indol-2-yl)methanone
CID 47151027
(4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone
CID 71884116
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
N-[3-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]acetamide
CID 25474514
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(4-fluoro-1H-indol-2-yl)methanone
CID 95590024
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473760

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 33366935) is [1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(C(=O)c3cc4c(F)cccc4[nH]3)CC2)cc1.
What is the InChIKey of [1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is YWECEFAMXWHZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-28-16-7-5-14(6-8-16)21(26)15-9-11-25(12-10-15)22(27)20-13-17-18(23)3-2-4-19(17)24-20/h2-8,13,15,24H,9-12H2,1H3.
What are the key properties of [1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 380.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 33366935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).